3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C12H10F3N3O — CID 91802666

IUPAC3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c1-18-7-16-6-10(18)11(19)17-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,17,19)
InChIKeyUHQSOXDSSKJCET-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.69
Rot. Bonds2

About 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 91802666) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID91802666
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c1-18-7-16-6-10(18)11(19)17-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,17,19)
InChIKeyUHQSOXDSSKJCET-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 110861901
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103510962
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
5-[(3-methylimidazole-4-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 103510438
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
2-fluoro-5-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510456
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-phenyl-N'-[3-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide
CID 71902463
2,3,5,6-tetrafluoro-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 170317070
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
2,3,4,5-tetrafluoro-6-formyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 88891558
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 91802666) is 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is UHQSOXDSSKJCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-18-7-16-6-10(18)11(19)17-9-4-2-3-8(5-9)12(13,14)15/h2-7H,1H3,(H,17,19).
What are the key properties of 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 269.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 91802666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).